CID 47002609

[1-(2-chlorophenyl)-1h-1,2,3-triazol-4-yl]methanamine hydrochloride

Structural Information

Molecular Formula
C9H9ClN4
SMILES
C1=CC=C(C(=C1)N2C=C(N=N2)CN)Cl
InChI
InChI=1S/C9H9ClN4/c10-8-3-1-2-4-9(8)14-6-7(5-11)12-13-14/h1-4,6H,5,11H2
InChIKey
ZUMYDZXZUVEJMX-UHFFFAOYSA-N
Compound name
[1-(2-chlorophenyl)triazol-4-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

208.05157 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.058846 142.8
[M+Na]+ 231.040788 153.2
[M-H]- 207.044294 145.4
[M+NH4]+ 226.085393 159.8
[M+K]+ 247.014728 148.0
[M+H-H2O]+ 191.048830 134.1
[M+HCOO]- 253.049771 161.2
[M+CH3COO]- 267.065421 155.5
[M+Na-2H]- 229.026236 148.2
[M]+ 208.05102142 143.3
[M]- 208.05211858 143.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe